UCSF

ZINC34685680

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 11.73 -18.66 0 6 0 53 461.606 7
Mid Mid (pH 6-8) 3.66 13.97 -62.11 1 6 1 54 462.614 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )